iterations/neb0_image01_iter233_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.364892570426E+03 0.36489E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.319155497893E+01 -0.36170E+03 -0.34857E+03 839 0.195E+02
DAV: 3 -0.954774857455E+02 -0.98669E+02 -0.98324E+02 653 0.116E+02
DAV: 4 -0.100185049212E+03 -0.47076E+01 -0.46952E+01 704 0.293E+01
DAV: 5 -0.100278624893E+03 -0.93576E-01 -0.93528E-01 736 0.371E+00 0.221E+01
DAV: 6 -0.916799397560E+02 0.85987E+01 -0.31014E+01 688 0.299E+01 0.116E+01
DAV: 7 -0.908874260609E+02 0.79251E+00 -0.18253E+00 712 0.639E+00 0.484E+00
DAV: 8 -0.905122179081E+02 0.37521E+00 -0.55073E-01 704 0.428E+00 0.168E+00
DAV: 9 -0.904287670079E+02 0.83451E-01 -0.13247E-01 712 0.165E+00 0.422E-01
DAV: 10 -0.904242072183E+02 0.45598E-02 -0.47326E-02 712 0.123E+00 0.323E-01
DAV: 11 -0.904282921132E+02 -0.40849E-02 -0.76348E-03 608 0.569E-01 0.121E-01
DAV: 12 -0.904317342385E+02 -0.34421E-02 -0.67102E-03 624 0.449E-01 0.135E-01
DAV: 13 -0.904341633910E+02 -0.24292E-02 -0.16403E-03 853 0.314E-01 0.764E-02
DAV: 14 -0.904373459225E+02 -0.31825E-02 -0.15222E-03 642 0.198E-01 0.714E-02
DAV: 15 -0.904390139653E+02 -0.16680E-02 -0.30977E-04 680 0.112E-01 0.572E-02
DAV: 16 -0.904403364649E+02 -0.13225E-02 -0.10673E-03 669 0.201E-01 0.360E-02
DAV: 17 -0.904411844789E+02 -0.84801E-03 -0.14037E-04 661 0.802E-02 0.320E-02
DAV: 18 -0.904415161281E+02 -0.33165E-03 -0.89709E-05 680 0.479E-02 0.158E-02
DAV: 19 -0.904416974475E+02 -0.18132E-03 -0.80391E-05 645 0.480E-02 0.989E-03
DAV: 20 -0.904417190026E+02 -0.21555E-04 -0.60751E-06 536 0.170E-02 0.840E-03
DAV: 21 -0.904417617185E+02 -0.42716E-04 -0.78571E-06 412 0.149E-02 0.575E-03
DAV: 22 -0.904417723016E+02 -0.10583E-04 -0.37512E-06 480 0.133E-02 0.290E-03
DAV: 23 -0.904417765078E+02 -0.42062E-05 -0.49198E-06 450 0.132E-02
1 F= -.90441777E+02 E0= -.90448224E+02 d E =0.193417E-01